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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50093979'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1 receptor


(RAT)		BDBM50093979
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-[1,3]di...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1OCCO1)-c1ccccc1
Show InChI InChI=1S/C22H19ClN2O6/c23-16-10-18-17(30-12-31-18)9-14(16)8-15-20(13-4-2-1-3-5-13)24-25(21(15)22(26)27)11-19-28-6-7-29-19/h1-5,9-10,19H,6-8,11-12H2,(H,26,27)
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Similars
PubMed
n/an/a 70n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles

Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair